ChemDB: Chemical Search
Download
Chemical ID: 4807646
Chemical ID:
4807646
Name [?]:
None
SMILES [?]:
CN(C)CCCNc1nc2c(c3c(s2)CCC3)c4n1ncn4
InChi [?]:
InChI=1/C15H20N6S/c1-20(2)8-4-7-16-15-19-14-12(13-17-9-18-21(13)15)10-5-3-6-11(10)22-14/h9H,3-8H2,1-2H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,5,17,15,6,4,21,12,13,11,18,10,8,7,22,20,9,2,19,14/E:(1,2)/rA:22nCNCCCCNCNCCCCSCCCCNNCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;d12;s10s13;s13;s15;s12s16;s11;s8s18;s19;d20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N6S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9495 |
Area: | 524.313 |
Solvation: | -2.15832 |
Coulombic: | -34.58 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.46 |
LogP (Chemaxon): | 2.53 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|